N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine

C14H19ClN2O — CID 50859018

IUPACN-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine
SMILESCC1CC(C)(C)N(C)c2cc(Cl)c(C=NO)cc21
InChIInChI=1S/C14H19ClN2O/c1-9-7-14(2,3)17(4)13-6-12(15)10(8-16-18)5-11(9)13/h5-6,8-9,18H,7H2,1-4H3
InChIKeyPSYDHNWQQXGVIP-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.87
Rot. Bonds1

About N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine

N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine (PubChem CID 50859018) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine
PubChem CID50859018
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine
SMILESCC1CC(C)(C)N(C)c2cc(Cl)c(C=NO)cc21
InChIInChI=1S/C14H19ClN2O/c1-9-7-14(2,3)17(4)13-6-12(15)10(8-16-18)5-11(9)13/h5-6,8-9,18H,7H2,1-4H3
InChIKeyPSYDHNWQQXGVIP-UHFFFAOYSA-N
XLogP3.87
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline
CID 99886342
N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50859166
1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone
CID 50859238
N-[(E)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133203437
N-[(E)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-nitroaniline
CID 133203433
4-chloro-N-[(Z)-[(4S)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]benzamide
CID 99886395
2-chloro-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50859089
2-chloro-N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]benzamide
CID 99886404
1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
CID 50859359
N-[(Z)-[(4S)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-4-methylbenzamide
CID 99886386
5-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50859320
1-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylurea
CID 133203476

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine (CID 50859018) is N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine is CC1CC(C)(C)N(C)c2cc(Cl)c(C=NO)cc21.
What is the InChIKey of N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine?
The InChIKey is PSYDHNWQQXGVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-7-14(2,3)17(4)13-6-12(15)10(8-16-18)5-11(9)13/h5-6,8-9,18H,7H2,1-4H3.
What are the key properties of N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine?
N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine has a molecular weight of 266.77 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine is sourced from PubChem (CID 50859018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).